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Equilin Benzoate
[CAS# 6030-80-4]

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Identification
Name Equilin Benzoate
Synonyms Benzoic Acid [(9S,13S,14S)-13-Methyl-17-Oxo-9,11,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; Benzoic Acid [(9S,13S,14S)-17-Keto-13-Methyl-9,11,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 3-09-00-00767 (Beilstein Handbook Reference)
Molecular Structure CAS#: 6030-80-4, Equilin Benzoate
Molecular Formula C25H24O3
Molecular Weight 372.46
CAS Registry Number 6030-80-4
SMILES [C@H]15C(=CCC2=C1C=CC(=C2)OC(C3=CC=CC=C3)=O)[C@H]4[C@](C(=O)CC4)(C)CC5
InChI 1S/C25H24O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8-10,15,20,22H,7,11-14H2,1H3/t20-,22+,25+/m1/s1
InChIKey UIXFQXUDHNMOTI-KJWPAHLWSA-N
Properties
Density 1.243g/cm3 (Cal.)
Boiling point 541.018°C at 760 mmHg (Cal.)
Flash point 235.65°C (Cal.)
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